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Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

Efficiently solving large-scale sparse linear systems poses a significant challenge in computational science, especially in fields such as physics, engineering, machine learning, and finance. Traditional classical algorithms face…

Quantum Physics · Physics 2024-10-04 Hakikat Singh

Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum…

Quantum Physics · Physics 2025-04-16 Aaron Szasz , Ed Younis , Wibe Albert de Jong

For Hamiltonian systems, simulation algorithms that exactly conserve numerical energy or pseudo-energy have seen extensive investigation. Most available methods either require the iterative solution of nonlinear algebraic equations at each…

Numerical Analysis · Mathematics 2022-07-04 Stefan Bilbao , Michele Ducceschi , Fabiana Zama

Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard…

Quantum Physics · Physics 2025-10-23 Yukun Zhang , Yusen Wu , Xiao Yuan

We introduce a family of Hamiltonian systems for measurement-based quantum computation with continuous variables. The Hamiltonians (i) are quadratic, and therefore two body, (ii) are of short range, (iii) are frustration-free, and (iv)…

Quantum Physics · Physics 2011-03-01 Leandro Aolita , Augusto J. Roncaglia , Alessandro Ferraro , Antonio Acín

We present a polynomial-time quantum algorithm for obtaining the energy spectrum of a physical system, i.e. the differences between the eigenvalues of the system's Hamiltonian, provided that the spectrum of interest contains at most a…

Quantum Physics · Physics 2012-06-22 Hefeng Wang , S. Ashhab , Franco Nori

We apply the recursive stochastic state selection method, which is a new method for Monte Carlo study we have recently developed, to quantum spin systems with positive definite Hamiltonians. Through numerical studies of two-dimensional…

Strongly Correlated Electrons · Physics 2007-05-23 Tomo Munehisa , Yasuko Munehisa

The Hybrid Monte Carlo algorithm is adapted to the simulation of a system of classical degrees of freedom coupled to non self-interacting lattices fermions. The diagonalization of the Hamiltonian matrix is avoided by introducing a…

Strongly Correlated Electrons · Physics 2009-10-31 J. L. Alonso , L. A. Fernandez , F. Guinea , V. Laliena , V. Martin-Mayor

Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ans\"atze for simulating physical systems. Energy-based frameworks, like Hopfield networks and Restricted Boltzmann Machines,…

Quantum Physics · Physics 2024-12-18 Manas Sajjan , Vinit Singh , Sabre Kais

The application of quantum algorithms to classical problems is generally accompanied by significant bottlenecks when transferring data between quantum and classical states, often negating any intrinsic quantum advantage. Here we address…

Quantum Physics · Physics 2025-04-03 Omer Rathore , Alastair Basden , Nicholas Chancellor , Halim Kusumaatmaja

We develop a quantum algorithm for estimating the free energy as well as the total Gibbs state of interacting quantum Coulomb gases and molecular systems in dimensions $d \in \{2,3\}$ at finite temperature. These systems lie beyond the…

Quantum Physics · Physics 2026-04-17 Simon Becker , Cambyse Rouzé , Robert Salzmann

We present an algorithm for the simulation of the exact real-time dynamics of classical many-body systems with discrete energy levels. In the same spirit of kinetic Monte Carlo methods, a stochastic solution of the master equation is found,…

Statistical Mechanics · Physics 2016-07-20 Alejandro Mendoza-Coto , Rogelio Díaz-Méndez , Guido Pupillo

We present a numerical method to simulate the time evolution, according to a Hamiltonian made of local interactions, of quantum spin chains and systems alike. The efficiency of the scheme depends on the amount of the entanglement involved…

Quantum Physics · Physics 2009-11-10 G. Vidal

Achieving noise resilience is an outstanding challenge in Hamiltonian-based quantum computation. To this end, energy-gap protection provides a promising approach, where the desired quantum dynamics are encoded into the ground space of a…

Quantum Physics · Physics 2024-12-11 Yingkang Cao , Suying Liu , Haowei Deng , Zihan Xia , Xiaodi Wu , Yu-Xin Wang

Efficient characterization of highly entangled multi-particle systems is an outstanding challenge in quantum science. Recent developments have shown that a modest number of randomized measurements suffices to learn many properties of a…

Quantum Physics · Physics 2022-12-13 Katherine Van Kirk , Jordan Cotler , Hsin-Yuan Huang , Mikhail D. Lukin

We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…

Strongly Correlated Electrons · Physics 2013-05-30 Eric Neuscamman , C. J. Umrigar , Garnet Kin-Lic Chan

Quantum Monte Carlo coupled with neural network wavefunctions has shown success in computing ground states of quantum many-body systems. Existing optimization approaches compute the energy by sampling local energy from an explicit…

Computational Physics · Physics 2023-05-29 Xuan Zhang , Shenglong Xu , Shuiwang Ji

Variational quantum eigensolver~(VQE) typically optimizes variational parameters in a quantum circuit to prepare eigenstates for a quantum system. Its applications to many problems may involve a group of Hamiltonians, e.g., Hamiltonian of a…

Quantum Physics · Physics 2021-01-19 Zhan-Hao Yuan , Tao Yin , Dan-Bo Zhang

The negative hydrogen ion is the first three body quantum problem whose ground state energy is calculated using the `Chandrasekhar Wavefunction' that accounts for the electron-electron correlation. Solving multi-body systems is a daunting…

Quantum Physics · Physics 2019-05-31 Shubham Kumar , Rahul Pratap Singh , Bikash K. Behera , Prasanta K. Panigrahi